N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H17BrN2O — CID 61414231

IUPACN-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C15H17BrN2O/c1-11(2)18-9-5-8-14(18)15(19)17-10-12-6-3-4-7-13(12)16/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyHTWBZYNWLBGKQE-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.76
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61414231) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61414231
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C15H17BrN2O/c1-11(2)18-9-5-8-14(18)15(19)17-10-12-6-3-4-7-13(12)16/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyHTWBZYNWLBGKQE-UHFFFAOYSA-N
XLogP3.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609214
N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 54903835
2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 66165599
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2-bromophenyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107024172
N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62500385
4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61401810
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 86813836
N-(3-azidopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61344561
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 61414231) is N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is HTWBZYNWLBGKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11(2)18-9-5-8-14(18)15(19)17-10-12-6-3-4-7-13(12)16/h3-9,11H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61414231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).